Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C22H17ClFN3O2S |
| Molecular Weight | 441.906 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)(O)C1=NC=C(C=C1)C2=C(OC(=N2)C3=CC=C(F)C=C3)SC4=NC=C(Cl)C=C4
InChI
InChIKey=DBZMCSVIITXLCC-UHFFFAOYSA-N
InChI=1S/C22H17ClFN3O2S/c1-22(2,28)17-9-5-14(11-25-17)19-21(30-18-10-6-15(23)12-26-18)29-20(27-19)13-3-7-16(24)8-4-13/h3-12,28H,1-2H3
| Molecular Formula | C22H17ClFN3O2S |
| Molecular Weight | 441.906 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 11:45:52 GMT 2023
by
admin
on
Sat Dec 16 11:45:52 GMT 2023
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| Record UNII |
77GX6MU9ZL
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| Record Status |
Validated (UNII)
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| Record Version |
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77GX6MU9ZL
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1207745-58-1
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MK-4409
Created by
admin on Sat Dec 16 11:45:52 GMT 2023 , Edited by admin on Sat Dec 16 11:45:52 GMT 2023
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PRIMARY | MK-4409 is a drug which acts as a potent and selective inhibitor of the enzyme fatty acid amide hydrolase (FAAH), with an IC50 of 11 nM, and both analgesic and antiinflammatory effects in animal studies. It was developed for the treatment of neuropathic pain and has progressed as far as early stage human clinical trials. | ||
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DTXSID101045923
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53341130
Created by
admin on Sat Dec 16 11:45:52 GMT 2023 , Edited by admin on Sat Dec 16 11:45:52 GMT 2023
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SALT/SOLVATE -> PARENT |
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| Related Record | Type | Details | ||
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ACTIVE MOIETY |
Originator: Merck & Co; Class: Analgesic, Oxazole; Mechanism of Action: Fatty acid amide hydrolase inhibitor; Orphan Drug Status: No; On Fast track: No; New Molecular Entity: Yes; Highest Development Phase: No development for reported Pain; Most Recent Events: 27 May 2016 Chemical information added, 15 Jul 2009 Phase-I clinical trials in Pain in USA (unspecified route)
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ACTIVE MOIETY |
Rat PK data on FAAH inhibitor MK-4409:
AUCNpo d ((.MU.M h kg)/mg) = 2.2;
half-life(h) = 4.3;
Vd Cl (mL/minundefinedkg) = 20;
Vd (L/kg) = 6.2;
Vd F (%)e = 120;
CFA Data Key for MK-4409:
a Oral dose in mg/kg. = 10;
% reversal of allodyniab 1 h time point = 49;
% reversal of allodynia 3 h time point = 51;
In Vitro Data of MK-4409:
human FAAH lysate IC50 (nM) = 11;
RatFAAH lysate IC50 (nM) = 11;
MK-499 binding assay, Ki,(nM) = 1254;
human VMAT EC50 (nM) = >20000
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